Geometry & MOs

Info

ID:	169602
PubChem CID:	75124635
Reduced:	SO3N5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	-76.31
Dipole, Da:	5.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.951920
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CSC2=NC(=NC3=[N+](C(=O)N(C(=O)C23)C)C)C(C)(C)C

DOS

IR

Vibrations